1-[ethoxy(ethyl)phosphoryl]oxyheptane

C11H25O3P — CID 88847628

IUPAC1-[ethoxy(ethyl)phosphoryl]oxyheptane
SMILESCCCCCCCOP(=O)(CC)OCC
InChIInChI=1S/C11H25O3P/c1-4-7-8-9-10-11-14-15(12,6-3)13-5-2/h4-11H2,1-3H3
InChIKeyHKJUAWOBJAIVJY-UHFFFAOYSA-N
MW236.29 g/mol
LogP4.22
Rot. Bonds10

About 1-[ethoxy(ethyl)phosphoryl]oxyheptane

1-[ethoxy(ethyl)phosphoryl]oxyheptane (PubChem CID 88847628) has the molecular formula C11H25O3P and a molecular weight of 236.29 g/mol. Its IUPAC name is 1-[ethoxy(ethyl)phosphoryl]oxyheptane.

Molecular Properties

Compound Name1-[ethoxy(ethyl)phosphoryl]oxyheptane
PubChem CID88847628
Molecular FormulaC11H25O3P
Molecular Weight236.29 g/mol
Exact Mass236.15
IUPAC Name1-[ethoxy(ethyl)phosphoryl]oxyheptane
SMILESCCCCCCCOP(=O)(CC)OCC
InChIInChI=1S/C11H25O3P/c1-4-7-8-9-10-11-14-15(12,6-3)13-5-2/h4-11H2,1-3H3
InChIKeyHKJUAWOBJAIVJY-UHFFFAOYSA-N
XLogP4.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-[dodecoxy(ethyl)phosphoryl]oxydodecane
CID 154323164
1-[ethyl(octoxy)phosphoryl]oxyoctane
CID 574233
1-[butyl(hexoxy)phosphoryl]oxyoctadecane
CID 91716589
1-dioctoxyphosphoryldecane
CID 141369437
1-didecoxyphosphoryltetradecane
CID 151616748
1-dihexoxyphosphoryltetradecane
CID 151638840
1-[butyl(pentoxy)phosphoryl]oxypentadecane
CID 91716553
1-[butyl(hexoxy)phosphoryl]oxyhexadecane
CID 91716578
1-diheptoxyphosphoryloctadecane
CID 153322672
dodecyl 2-[dodecoxy(ethoxy)phosphoryl]acetate
CID 87327786
azane;didodecyl ethyl phosphate
CID 170436215
1-[butoxy(butyl)phosphoryl]oxyheptane
CID 88847148

Frequently Asked Questions

What is the IUPAC name of 1-[ethoxy(ethyl)phosphoryl]oxyheptane?
The IUPAC name of 1-[ethoxy(ethyl)phosphoryl]oxyheptane (CID 88847628) is 1-[ethoxy(ethyl)phosphoryl]oxyheptane.
What is the SMILES notation for 1-[ethoxy(ethyl)phosphoryl]oxyheptane?
The canonical SMILES for 1-[ethoxy(ethyl)phosphoryl]oxyheptane is CCCCCCCOP(=O)(CC)OCC.
What is the InChIKey of 1-[ethoxy(ethyl)phosphoryl]oxyheptane?
The InChIKey is HKJUAWOBJAIVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25O3P/c1-4-7-8-9-10-11-14-15(12,6-3)13-5-2/h4-11H2,1-3H3.
What are the key properties of 1-[ethoxy(ethyl)phosphoryl]oxyheptane?
1-[ethoxy(ethyl)phosphoryl]oxyheptane has a molecular weight of 236.29 g/mol, XLogP of 4.22, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy(ethyl)phosphoryl]oxyheptane is sourced from PubChem (CID 88847628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).